Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment
Author:
Affiliation:
1. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA
Funder
National Science Foundation (NSF)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4921045
Reference57 articles.
1. Infrared Intensities of Liquids XX: The Intensity of the OH Stretching Band of Liquid Water Revisited, and the Best Current Values of the Optical Constants of H2O(l) at 25°C between 15,000 and 1 cm−1
2. Water (H2O and D2O) Molar Absorptivity in the 1000–4000 cm−1Range and Quantitative Infrared Spectroscopy of Aqueous Solutions
3. Signatures of the hydrogen bonding in the infrared bands of water
4. Isotope effects in liquid water by infrared spectroscopy. III. H2O and D2O spectra from 6000to0cm−1
5. Competing quantum effects in the dynamics of a flexible water model
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